Cargando…

Crystal structure of diethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1H-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate

In the title phospho­rylated compound, C(20)H(26)Cl(3)N(2)O(6)P, the phthalimide unit is essentially planar (r.m.s. deviation = 0.0129 Å) and the O atoms of this unit deviate from the mean plane by 0.080 (3) and 0.041 (3) Å. In the crystal, pairs of mol­ecules are linked by N—H⋯O and weak C—H⋯O hydr...

Descripción completa

Detalles Bibliográficos
Autores principales: Brovarets, V. S., Golovchenko, O. V., Rusanov, E. B., Rusanova, J. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038616/
https://www.ncbi.nlm.nih.gov/pubmed/30002885
http://dx.doi.org/10.1107/S2056989018008277
_version_ 1783338531857367040
author Brovarets, V. S.
Golovchenko, O. V.
Rusanov, E. B.
Rusanova, J. A.
author_facet Brovarets, V. S.
Golovchenko, O. V.
Rusanov, E. B.
Rusanova, J. A.
author_sort Brovarets, V. S.
collection PubMed
description In the title phospho­rylated compound, C(20)H(26)Cl(3)N(2)O(6)P, the phthalimide unit is essentially planar (r.m.s. deviation = 0.0129 Å) and the O atoms of this unit deviate from the mean plane by 0.080 (3) and 0.041 (3) Å. In the crystal, pairs of mol­ecules are linked by N—H⋯O and weak C—H⋯O hydrogen bonds involving the same acceptor atom, forming inversion dimers. In addition, π–π stacking inter­actions between the phthalimide groups, with a centroid–centroid distance of 3.7736 (13) Å, and further weak C—H⋯O hydrogen bonds connect the inversion dimers into columns along [0[Image: see text]1].
format Online
Article
Text
id pubmed-6038616
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-60386162018-07-12 Crystal structure of diethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1H-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate Brovarets, V. S. Golovchenko, O. V. Rusanov, E. B. Rusanova, J. A. Acta Crystallogr E Crystallogr Commun Research Communications In the title phospho­rylated compound, C(20)H(26)Cl(3)N(2)O(6)P, the phthalimide unit is essentially planar (r.m.s. deviation = 0.0129 Å) and the O atoms of this unit deviate from the mean plane by 0.080 (3) and 0.041 (3) Å. In the crystal, pairs of mol­ecules are linked by N—H⋯O and weak C—H⋯O hydrogen bonds involving the same acceptor atom, forming inversion dimers. In addition, π–π stacking inter­actions between the phthalimide groups, with a centroid–centroid distance of 3.7736 (13) Å, and further weak C—H⋯O hydrogen bonds connect the inversion dimers into columns along [0[Image: see text]1]. International Union of Crystallography 2018-06-08 /pmc/articles/PMC6038616/ /pubmed/30002885 http://dx.doi.org/10.1107/S2056989018008277 Text en © Brovarets et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Brovarets, V. S.
Golovchenko, O. V.
Rusanov, E. B.
Rusanova, J. A.
Crystal structure of diethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1H-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate
title Crystal structure of diethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1H-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate
title_full Crystal structure of diethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1H-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate
title_fullStr Crystal structure of diethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1H-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate
title_full_unstemmed Crystal structure of diethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1H-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate
title_short Crystal structure of diethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1H-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate
title_sort crystal structure of diethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1h-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038616/
https://www.ncbi.nlm.nih.gov/pubmed/30002885
http://dx.doi.org/10.1107/S2056989018008277
work_keys_str_mv AT brovaretsvs crystalstructureofdiethyl222trichloro1213dioxo23dihydro1hisoindol2yl4methylpentanamidoethylphosphonate
AT golovchenkoov crystalstructureofdiethyl222trichloro1213dioxo23dihydro1hisoindol2yl4methylpentanamidoethylphosphonate
AT rusanoveb crystalstructureofdiethyl222trichloro1213dioxo23dihydro1hisoindol2yl4methylpentanamidoethylphosphonate
AT rusanovaja crystalstructureofdiethyl222trichloro1213dioxo23dihydro1hisoindol2yl4methylpentanamidoethylphosphonate